REMARK Name = BDB007811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.266 -1.540 0.242 0.00 0.00 +0.229 A ATOM 2 O LIG 1 2.083 -0.867 0.156 0.00 0.00 -0.434 OA ATOM 3 C LIG 1 1.105 -1.822 0.281 0.00 0.00 +0.168 A ATOM 4 C LIG 1 1.745 -3.035 0.462 0.00 0.00 +0.172 A ATOM 5 N LIG 1 3.126 -2.838 0.435 0.00 0.00 -0.204 NA ENDROOT BRANCH 1 11 ATOM 6 C LIG 1 6.964 0.674 0.029 0.00 0.00 +0.144 A ATOM 7 C LIG 1 5.739 1.247 -0.348 0.00 0.00 +0.089 A ATOM 8 C LIG 1 4.512 0.576 -0.302 0.00 0.00 +0.015 A ATOM 9 C LIG 1 3.535 1.505 -0.782 0.00 0.00 +0.028 A ATOM 10 C LIG 1 4.170 2.686 -1.087 0.00 0.00 +0.084 A ATOM 11 C LIG 1 4.498 -0.765 0.157 0.00 0.00 +0.046 A ATOM 12 C LIG 1 5.722 -1.356 0.528 0.00 0.00 +0.017 A ATOM 13 N LIG 1 5.498 2.520 -0.819 0.00 0.00 -0.358 N ATOM 14 H LIG 1 6.223 3.213 -0.947 0.00 0.00 +0.165 HD ATOM 15 C LIG 1 6.926 -0.652 0.467 0.00 0.00 +0.048 A BRANCH 6 17 ATOM 16 C LIG 1 9.313 0.872 0.315 0.00 0.00 +0.277 C ATOM 17 O LIG 1 8.077 1.459 -0.072 0.00 0.00 -0.493 OA ENDBRANCH 6 17 ENDBRANCH 1 11 BRANCH 3 18 ATOM 18 C LIG 1 -0.258 -1.320 0.183 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -0.585 -0.055 0.687 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -1.890 0.451 0.591 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -2.918 -0.288 -0.006 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -2.572 -1.545 -0.527 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -1.269 -2.055 -0.436 0.00 0.00 +0.013 A BRANCH 21 24 ATOM 24 N LIG 1 -4.238 0.171 -0.134 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -4.497 1.613 0.075 0.00 0.00 +0.126 C ATOM 26 C LIG 1 -5.953 1.993 -0.353 0.00 0.00 +0.029 C ATOM 27 C LIG 1 -6.235 3.437 0.100 0.00 0.00 +0.029 C ATOM 28 C LIG 1 -6.092 1.933 -1.888 0.00 0.00 +0.029 C ATOM 29 N LIG 1 -6.978 1.139 0.301 0.00 0.00 -0.308 NA ATOM 30 H LIG 1 -7.891 1.321 -0.113 0.00 0.00 +0.123 HD ATOM 31 C LIG 1 -6.662 -0.293 0.160 0.00 0.00 +0.100 C ATOM 32 C LIG 1 -5.225 -0.673 0.580 0.00 0.00 +0.120 C ENDBRANCH 21 24 ENDBRANCH 3 18 BRANCH 4 33 ATOM 33 C LIG 1 1.164 -4.351 0.685 0.00 0.00 +0.264 C ATOM 34 O LIG 1 -0.032 -4.596 0.790 0.00 0.00 -0.269 OA ATOM 35 N LIG 1 2.097 -5.345 0.783 0.00 0.00 -0.324 N ATOM 36 H LIG 1 3.082 -5.109 0.750 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 1.796 -6.285 0.993 0.00 0.00 +0.145 HD ENDBRANCH 4 33 TORSDOF 5